![2-[4-[METHYL-O-BETA-D-GALACTOPYRANOSYL-(1->3)-O-BETA-D-GALACTOPYRANOSIDE]-BENZAMIDO]-ACETIC-ACID](/api/spectrum/8PEYcjsHZFS/structure.png?h=300&w=458 "2-[4-[METHYL-O-BETA-D-GALACTOPYRANOSYL-(1->3)-O-BETA-D-GALACTOPYRANOSIDE]-BENZAMIDO]-ACETIC-ACID")
| SpectraBase Compound ID | 57XcXulOdU8 |
|---|---|
| InChI | InChI=1S/C22H31NO14/c24-6-11-14(28)16(30)17(31)22(36-11)37-19-15(29)12(7-25)35-21(18(19)32)34-8-9-1-3-10(4-2-9)20(33)23-5-13(26)27/h1-4,11-12,14-19,21-22,24-25,28-32H,5-8H2,(H,23,33)(H,26,27)/t11-,12-,14+,15+,16+,17-,18-,19+,21-,22+/m1/s1 |
| InChIKey | YKDDRWVPKMTLAD-VIOHTBFSSA-N |
| Mol Weight | 533.48 g/mol |
| Molecular Formula | C22H31NO14 |
| Exact Mass | 533.174455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PEYcjsHZFS |
|---|---|
| Name | 2-[4-[METHYL-O-BETA-D-GALACTOPYRANOSYL-(1->3)-O-BETA-D-GALACTOPYRANOSIDE]-BENZAMIDO]-ACETIC-ACID |
| Compound Number | 58 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NO14 |
| InChI | InChI=1S/C22H31NO14/c24-6-11-14(28)16(30)17(31)22(36-11)37-19-15(29)12(7-25)35-21(18(19)32)34-8-9-1-3-10(4-2-9)20(33)23-5-13(26)27/h1-4,11-12,14-19,21-22,24-25,28-32H,5-8H2,(H,23,33)(H,26,27)/t11-,12-,14+,15+,16+,17-,18-,19+,21-,22+/m1/s1 |
| InChIKey | YKDDRWVPKMTLAD-VIOHTBFSSA-N |
| Literature Reference Author | S.KOMBA,M.KITAOKA,T.KASUMI |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5313(2005) |
| Molecular Weight | 533.486 g/mol |
| Sample ID | 42608 |
| Solvent | D2O |